Trimellitic anhydride, monoester with 2-ethyl-1,3-hexanediol
TL;DR: Trimellitic anhydride, monoester with 2-ethyl-1,3-hexanediol (CAS 71550-38-4) is a chemical compound with molecular formula C17H20O7 and molecular weight 336.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1S,2R,3R)-2-ethyl-1,3-dihydroxyhexyl] 1,3-dioxo-2-benzofuran-5-carboxylate
Also Known As: Trimellitic anhydride, monoester with 2-ethyl-1,3-hexanediol, 5-Isobenzofurancarboxylic acid, 1,3-dihydro-1,3-dioxo-, monoester with 2-ethyl-1,3-hexanediol, (2-Ethyl-1,3-dihydroxyhexyl) 1,3-dioxo-2-benzofuran-5-carboxylate, [(1S,2R,3R)-2-ethyl-1,3-dihydroxyhexyl] 1,3-dioxo-2-benzofuran-5-carboxylate, [ -2-ethyl-1,3-dihydroxy-hexyl]1,3-dioxoisobenzofuran-5-carboxylate
| Molecular Formula | C17H20O7 |
|---|---|
| Molecular Weight | 336.12 g/mol |
| LogP | 1.6596 |
| Topological Polar Surface Area | 110.13 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 336.1209 |
| Heavy Atoms | 24 |
| Complexity | 652.3392 |
Chemical Identifiers
| CAS Number | 71550-38-4 |
|---|---|
| SMILES | CCC[C@H]([C@@H](CC)[C@@H](O)OC(=O)C1=CC2=C(C=C1)C(=O)OC2=O)O |
Product Overview
Trimellitic anhydride, monoester with 2-ethyl-1,3-hexanediol (CAS 71550-38-4), with molecular formula C17H20O7 and molecular weight 336.12 g/mol. IUPAC: [(1S,2R,3R)-2-ethyl-1,3-dihydroxyhexyl] 1,3-dioxo-2-benzofuran-5-carboxylate.
Chemical Property Profile of Trimellitic anhydride, monoester with 2-ethyl-1,3-hexanediol
Property Insights of Trimellitic anhydride, monoester with 2-ethyl-1,3-hexanediol
The XLogP value of 1.6596 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Trimellitic anhydride, monoester with 2-ethyl-1,3-hexanediol. The TPSA of 110.13 Ų falls within the moderate polarity range, balancing permeability and solubility for Trimellitic anhydride, monoester with 2-ethyl-1,3-hexanediol. Following Lipinski's Rule of Five, Trimellitic anhydride, monoester with 2-ethyl-1,3-hexanediol has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Trimellitic anhydride, monoester with 2-ethyl-1,3-hexanediol?
The CAS number of Trimellitic anhydride, monoester with 2-ethyl-1,3-hexanediol is 71550-38-4.
What is the molecular formula of Trimellitic anhydride, monoester with 2-ethyl-1,3-hexanediol?
The molecular formula of Trimellitic anhydride, monoester with 2-ethyl-1,3-hexanediol is C17H20O7.
What is the molecular weight of Trimellitic anhydride, monoester with 2-ethyl-1,3-hexanediol?
The molecular weight of Trimellitic anhydride, monoester with 2-ethyl-1,3-hexanediol is 336.12 g/mol.
Where can I buy Trimellitic anhydride, monoester with 2-ethyl-1,3-hexanediol?
You can request a quote for Trimellitic anhydride, monoester with 2-ethyl-1,3-hexanediol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Trimellitic anhydride, monoester with 2-ethyl-1,3-hexanediol?
Yes, KEHONG BIO provides custom synthesis services for Trimellitic anhydride, monoester with 2-ethyl-1,3-hexanediol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.